Molecule

ID:33277

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₈O₄
Molecular Mass
306.2376
Exact Mass
306.08250084
Charge
0
InChI
InChI=1S/C10H10N8O4/c11-13-9(19)7-8(10(20)14-12)17(16-15-7)5-1-3-6(4-2-5)18(21)22/h1-4H,11-12H2,(H,13,19)(H,14,20)
InChIKey
NZSNCBFZKKEOTG-UHFFFAOYSA-N
Canonic Smiles
NNC(=O)c1c(nnn1c1ccc(cc1)[N+](=O)[O-])C(=O)NN
Isomeric Smiles
c1(c(n(nn1)c1ccc(cc1)[N+](=O)[O-])C(=O)NN)C(=O)NN
Calculated Properties
JChem
Acid pKa
10.71081
H Acceptors
8
H Donor
4
LogD (pH = 5.5)
-0.9681066
LogD (pH = 7.4)
-0.96784055
Log P
-0.96764666
Molar Refractivity
76.7319
Polarizability
27.172392
Polar Surface Area
186.77
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation